phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

C19H20N2O4 — CID 774408

IUPACphenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c1
InChIInChI=1S/C19H20N2O4/c1-24-16-10-5-7-14(13-16)20-18(22)17-11-6-12-21(17)19(23)25-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyMJXGOSUKYQSPRF-KRWDZBQOSA-N
MW340.38 g/mol
LogP3.30
Rot. Bonds4

About phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 774408) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID774408
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namephenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c1
InChIInChI=1S/C19H20N2O4/c1-24-16-10-5-7-14(13-16)20-18(22)17-11-6-12-21(17)19(23)25-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyMJXGOSUKYQSPRF-KRWDZBQOSA-N
XLogP3.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
benzyl (2S)-2-[[3-(3-methoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582416
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 774408) is phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is COc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is MJXGOSUKYQSPRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-16-10-5-7-14(13-16)20-18(22)17-11-6-12-21(17)19(23)25-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 774408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).